기본 정보
- CAS
879462-02-9- 표준 SMILES
O=C(Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2)c1cc(-c2ccccc2O)[nH]n1- InChIKey
XXDYIOUNVYORFM-UHFFFAOYSA-N- 분자식
- C23H24N4O4S
- 평균 분자량
- 452.5 g/mol
이름 및 식별자
- 우선 이름
- (5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide
- IUPAC
- 3-(2-hydroxyphenyl)-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1H-pyrazole-5-carboxamide
- 영어명
- 3-(2-hydroxyphenyl)-N-(3-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-1H-pyrazole-5-carboxamide
- 분자식
- C23H24N4O4S
- 분자량
- 452.53
이름 및 동의어
879462-02-93-(2-Hydroxyphenyl)-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1H-pyrazole-5-carboxamideSTK594441AKOS002201608AKOS005516200AKOS016170270(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide3-(2-hydroxyphenyl)-N-(3-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-1H-pyrazole-5-carboxamideAS-871/43351585Z12136708293-(2-hydroxyphenyl)-N-(3-(((tetrahydrofuran-2-yl)methyl)carbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-5-carboxamide5-(2-hydroxyphenyl)-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-1H-pyrazole-3-carboxamide
이름 더 보기
1H-Pyrazole-3-carboxamide, N-[5,6-dihydro-3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]-4H-cyclopenta[b]thien-2-yl]-5-(2-hydroxyphenyl)-
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 697
물리화학적 성질
- 끓는 점
- 634 · 634.0±55.0 °C(Predicted)
- 밀도
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.54 · 9.54±0.30(Predicted)
화학 및 산업
공급사5 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
VITAS-BB—
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