racemic [4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][3-n itro-4-(2-methyl-1-pyrrolidinyl)phenyl]methanone (HCID 21958928)

기본 정보

표준 SMILES: CC1CCCN1c1ccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)cc1[N+](=O)[O-]
InChIKey: BZUJRFXHKHPMAP-UHFFFAOYSA-N
분자식: C26H31N7O3S
평균 분자량: 521.6 g/mol
단동위원소 질량: 521.22090905

이름 및 식별자

우선 이름: racemic [4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][3-n itro-4-(2-methyl-1-pyrrolidinyl)phenyl]methanone
IUPAC: [4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-[4-(2-methylpyrrolidin-1-yl)-3-nitrophenyl]methanone

이름 및 동의어

SCHEMBL5742130BZUJRFXHKHPMAP-UHFFFAOYSA-Nracemic [4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][3-n itro-4-(2-methyl-1-pyrrolidinyl)phenyl]methanoneracemic [4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][3-nitro-4-(2-methyl-1-pyrrolidinyl)phenyl]methanone

데이터베이스 식별자

PubChem CID: 21958928

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 152 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 6
무거운 원자 수: 37
형식 전하: 0
복잡도: 800

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