기본 정보
- CAS
352208-99-2- 표준 SMILES
O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3- InChIKey
OFIVVEHHCFCJNQ-UHFFFAOYSA-N- 분자식
- C28H16ClF4N5O4
- 평균 분자량
- 597.9 g/mol
- 단동위원소 질량
- 597.0826944
이름 및 식별자
- 우선 이름
- 11-chloro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
- IUPAC
- 15-chloro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
- 영어명
- 11-chloro-N-{3-(4-fluorophenoxy)-5-nitrophenyl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
- 분자식
- C28H16ClF4N5O4
- 분자량
- 597.9
이름 및 동의어
11-chloro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide11-chloro-N-(3-(4-fluorophenoxy)-5-nitrophenyl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide11-chloro-N-{3-(4-fluorophenoxy)-5-nitrophenyl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamideSTK338594AKOS001488076ST50585517AG-219/13129045SR-01000436578SR-01000436578-1[11-chloro-7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]quinazolin -10-yl)]-N-[5-(4-fluorophenoxy)-3-nitrophenyl]carboxamide15-chloro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamideBenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide, 11-chloro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5,6-dihydro-7-(trifluoromethyl)-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 998
물리화학적 성질
- 밀도
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.82 · 8.82±0.70(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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