기본 정보
- CAS
189275-62-5- 표준 SMILES
O=C1N(Cc2cccc(-c3cn[nH]c3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cn[nH]c2)c1- InChIKey
USPVZNGEOQQYLK-RNATXAOGSA-N- 분자식
- C39H38N6O3
- 평균 분자량
- 638.8 g/mol
- 단동위원소 질량
- 638.3005391
이름 및 식별자
- 우선 이름
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(1H-pyrazol-4-yl)phenyl]methyl]-1,3-diazepan-2-one
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(1H-pyrazol-4-yl)phenyl]methyl]-1,3-diazepan-2-one
- 영어명
- XN974
- 분자식
- C39H38N6O3
- 분자량
- 638.76
이름 및 동의어
189275-62-5XN974(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(1H-pyrazol-4-yl)phenyl]methyl]-1,3-diazepan-2-oneCHEMBL304491(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis((3-((1H-pyrazol-4-yl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{[3-(1H-pyrazol-4-yl)phenyl]methyl}-1,3-diazepan-2-one(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-[(1H-pyrazol-4-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneCID 469244BDBM183DTXSID80172330(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-pyrazol-4-yl)phenyl]methyl})-1,3-diazepan-2-one(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(1H-prazol-4-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
이름 더 보기
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis[[3-(1H-pyrazol-4-yl)phenyl]methyl]-, (4R,5S,6S,7R)-
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 930
물리화학적 성질
- 끓는 점
- 918.1 · 918.1±65.0 °C(Predicted)
- 밀도
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.68 · 13.68±0.50(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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